OZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | sing | 1.35Å | 1.35Å | Aromatic |
| O19 | C20 | sing | 1.35Å | 1.51Å | Aromatic |
| C18 | C13 | doub | 1.34Å | 1.26Å | Aromatic |
| O16 | C15 | doub | 1.21Å | 1.26Å | |
| C20 | C21 | doub | 1.39Å | 1.36Å | Aromatic |
| C20 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | sing | 1.47Å | 1.32Å | Aromatic |
| C21 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | O17 | sing | 1.34Å | 1.26Å | |
| C12 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C09 | O08 | sing | 1.36Å | 1.40Å | |
| C09 | C10 | doub | 1.39Å | 1.44Å | Aromatic |
| O08 | C07 | sing | 1.36Å | 1.40Å | |
| C11 | C10 | sing | 1.37Å | 1.42Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| O17 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O19 | C20 | 104.0° | 110.9° |
| O19 | C18 | C13 | 105.0° | 110.2° |
| O19 | C18 | H181 | 127.5° | 125.0° |
| O19 | C20 | C21 | 130.1° | 133.4° |
| O19 | C20 | C12 | 108.7° | 107.3° |
| C18 | C13 | C14 | 115.9° | 126.9° |
| C18 | C13 | C12 | 125.8° | 106.2° |
| C13 | C18 | H181 | 127.5° | 124.9° |
| O16 | C15 | C14 | 120.1° | 120.0° |
| O16 | C15 | O17 | 119.6° | 120.0° |
| C21 | C20 | C12 | 121.2° | 119.3° |
| C20 | C21 | C09 | 120.8° | 119.8° |
| C20 | C21 | H211 | 119.6° | 120.1° |
| C20 | C12 | C13 | 96.5° | 105.5° |
| C20 | C12 | C11 | 118.9° | 120.2° |
| C14 | C13 | C12 | 118.3° | 126.9° |
| C13 | C14 | C15 | 109.3° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.4° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C12 | C11 | 144.7° | 134.3° |
| C21 | C09 | O08 | 115.5° | 119.7° |
| C21 | C09 | C10 | 119.0° | 120.5° |
| C09 | C21 | H211 | 119.6° | 120.1° |
| C14 | C15 | O17 | 120.3° | 120.0° |
| C15 | C14 | H141 | 109.5° | 109.5° |
| C15 | C14 | H142 | 109.5° | 109.5° |
| C15 | O17 | H1 | 109.5° | 117.0° |
| C12 | C11 | C10 | 121.1° | 119.8° |
| C12 | C11 | H111 | 119.5° | 120.1° |
| O08 | C09 | C10 | 125.5° | 119.7° |
| C09 | O08 | C07 | 120.2° | 118.0° |
| C09 | C10 | C11 | 119.0° | 120.4° |
| C09 | C10 | H101 | 120.5° | 119.8° |
| O08 | C07 | C06 | 117.8° | 120.1° |
| O08 | C07 | C22 | 122.7° | 120.0° |
| C11 | C10 | H101 | 120.5° | 119.8° |
| C10 | C11 | H111 | 119.5° | 120.1° |
| C07 | C06 | C05 | 120.7° | 120.1° |
| C06 | C07 | C22 | 119.5° | 119.9° |
| C07 | C06 | H061 | 119.7° | 120.0° |
| C06 | C05 | C04 | 119.8° | 120.1° |
| C06 | C05 | H051 | 120.1° | 120.0° |
| C05 | C06 | H061 | 119.7° | 119.9° |
| C07 | C22 | C03 | 119.7° | 119.9° |
| C07 | C22 | H221 | 120.1° | 120.1° |
| C05 | C04 | C03 | 120.0° | 120.1° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C04 | C05 | H051 | 120.1° | 119.9° |
| C22 | C03 | C04 | 120.3° | 119.9° |
| C22 | C03 | O02 | 120.2° | 120.0° |
| C03 | C22 | H221 | 120.1° | 120.0° |
| C04 | C03 | O02 | 119.5° | 120.1° |
| C03 | C04 | H041 | 120.0° | 119.9° |
| C03 | O02 | C01 | 114.6° | 117.0° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | C13 | H181 | 180.0° | 180.0° |
| C18 | O19 | C20 | C21 | 180.0° | 179.7° |
| C18 | O19 | C20 | C12 | 0.1° | 0.1° |
| O19 | C18 | C13 | C14 | 179.8° | 179.9° |
| O19 | C18 | C13 | C12 | 0.0° | 0.1° |
| C20 | O19 | C18 | C13 | 0.1° | 0.1° |
| O19 | C20 | C21 | C12 | 179.9° | 179.7° |
| O19 | C20 | C12 | C13 | 0.1° | 0.0° |
| O19 | C20 | C21 | C09 | 179.8° | 179.9° |
| O19 | C20 | C12 | C11 | 180.0° | 179.9° |
| O19 | C20 | C21 | H211 | 0.2° | 0.3° |
| C20 | O19 | C18 | H181 | 179.9° | 179.9° |
| C18 | C13 | C12 | C20 | 0.1° | 0.0° |
| C18 | C13 | C14 | C12 | 179.8° | 180.0° |
| C18 | C13 | C14 | C15 | 37.6° | 94.9° |
| C18 | C13 | C12 | C11 | 179.9° | 179.9° |
| C18 | C13 | C14 | H141 | 157.5° | 25.0° |
| C18 | C13 | C14 | H142 | 82.4° | 145.0° |
| O16 | C15 | C14 | C13 | 71.4° | 0.1° |
| O16 | C15 | C14 | O17 | 179.8° | 180.0° |
| O16 | C15 | C14 | H141 | 168.6° | 120.0° |
| O16 | C15 | C14 | H142 | 48.6° | 119.9° |
| O16 | C15 | O17 | H1 | 0.0° | 0.0° |
| C21 | C20 | C12 | C13 | 180.0° | 179.8° |
| C20 | C21 | C09 | H211 | 180.0° | 179.8° |
| C21 | C20 | C12 | C11 | 0.1° | 0.3° |
| C20 | C21 | C09 | O08 | 179.7° | 180.0° |
| C20 | C21 | C09 | C10 | 0.6° | 0.1° |
| C20 | C12 | C13 | C14 | 179.7° | 180.0° |
| C20 | C12 | C13 | C11 | 179.9° | 179.9° |
| C12 | C20 | C21 | C09 | 0.3° | 0.2° |
| C20 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C20 | C21 | H211 | 179.7° | 180.0° |
| C20 | C12 | C11 | H111 | 179.9° | 180.0° |
| C13 | C14 | C15 | H141 | 120.0° | 119.9° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | C15 | O17 | 108.5° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C13 | C14 | H141 | H142 | 120.1° | 120.0° |
| C14 | C13 | C18 | H181 | 0.2° | 0.1° |
| C12 | C13 | C14 | C15 | 142.3° | 85.0° |
| C13 | C12 | C11 | C10 | 179.9° | 180.0° |
| C13 | C12 | C11 | H111 | 0.1° | 0.1° |
| C12 | C13 | C14 | H141 | 22.3° | 155.0° |
| C12 | C13 | C14 | H142 | 97.8° | 35.0° |
| C12 | C13 | C18 | H181 | 180.0° | 179.9° |
| C21 | C09 | O08 | C10 | 179.0° | 179.9° |
| C21 | C09 | O08 | C07 | 166.5° | 90.1° |
| C21 | C09 | C10 | C11 | 0.6° | 0.3° |
| C21 | C09 | C10 | H101 | 179.4° | 180.0° |
| C15 | C14 | H141 | H142 | 120.0° | 120.0° |
| C14 | C15 | O17 | H1 | 179.8° | 179.9° |
| O17 | C15 | C14 | H141 | 11.5° | 60.0° |
| O17 | C15 | C14 | H142 | 131.6° | 60.0° |
| C12 | C11 | C10 | C09 | 0.3° | 0.2° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | H101 | 179.7° | 179.9° |
| O08 | C09 | C10 | C11 | 179.6° | 179.8° |
| C09 | O08 | C07 | C06 | 128.4° | 179.6° |
| C09 | O08 | C07 | C22 | 54.4° | 0.1° |
| O08 | C09 | C10 | H101 | 0.4° | 0.1° |
| O08 | C09 | C21 | H211 | 0.4° | 0.2° |
| C10 | C09 | O08 | C07 | 14.5° | 89.9° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C10 | C09 | C21 | H211 | 179.4° | 179.7° |
| C09 | C10 | C11 | H111 | 179.7° | 179.7° |
| O08 | C07 | C06 | C22 | 177.3° | 179.5° |
| O08 | C07 | C06 | C05 | 178.8° | 180.0° |
| O08 | C07 | C22 | C03 | 178.7° | 180.0° |
| O08 | C07 | C22 | H221 | 1.2° | 0.2° |
| O08 | C07 | C06 | H061 | 1.2° | 0.5° |
| C07 | C06 | C05 | H061 | 180.0° | 179.5° |
| C07 | C06 | C05 | C04 | 0.7° | 0.2° |
| C06 | C07 | C22 | C03 | 1.6° | 0.5° |
| C06 | C07 | C22 | H221 | 178.4° | 179.7° |
| C07 | C06 | C05 | H051 | 179.3° | 179.8° |
| C05 | C06 | C07 | C22 | 1.5° | 0.5° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | H041 | 179.9° | 180.0° |
| C07 | C22 | C03 | H221 | 180.0° | 179.7° |
| C07 | C22 | C03 | C04 | 0.8° | 0.3° |
| C07 | C22 | C03 | O02 | 179.1° | 179.8° |
| C22 | C07 | C06 | H061 | 178.5° | 180.0° |
| C05 | C04 | C03 | C22 | 0.0° | 0.0° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C05 | C04 | C03 | O02 | 180.0° | 180.0° |
| C04 | C05 | C06 | H061 | 179.3° | 179.7° |
| C22 | C03 | C04 | O02 | 180.0° | 180.0° |
| C22 | C03 | O02 | C01 | 139.2° | 180.0° |
| C22 | C03 | C04 | H041 | 180.0° | 180.0° |
| C04 | C03 | O02 | C01 | 40.9° | 0.0° |
| C04 | C03 | C22 | H221 | 179.1° | 180.0° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| O02 | C03 | C22 | H221 | 0.9° | 0.0° |
| C03 | O02 | C01 | H011 | 180.0° | 60.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 180.0° |
| O02 | C03 | C04 | H041 | 0.0° | 0.0° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C01 | H011 | H013 | 120.0° | 119.9° |
| O02 | C01 | H012 | H013 | 120.0° | 120.0° |
| H101 | C10 | C11 | H111 | 0.3° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 0.1° | 0.0° |
| H051 | C05 | C06 | H061 | 0.7° | 0.3° |
